6-[(2-cyclopentylacetyl)amino]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxolan-2-yl)benzimidazole-4-carboxamide

C29H36N4O3 — CID 45191558

IUPAC6-[(2-cyclopentylacetyl)amino]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxolan-2-yl)benzimidazole-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc(NC(=O)CC3CCCC3)cc3nc(C4CCCO4)n(C)c23)cc1
InChIInChI=1S/C29H36N4O3/c1-19-10-12-21(13-11-19)18-32(2)29(35)23-16-22(30-26(34)15-20-7-4-5-8-20)17-24-27(23)33(3)28(31-24)25-9-6-14-36-25/h10-13,16-17,20,25H,4-9,14-15,18H2,1-3H3,(H,30,34)
InChIKeyARWJXUMEEFWYFD-UHFFFAOYSA-N
MW488.63 g/mol
LogP5.52
Rot. Bonds7

About 6-[(2-cyclopentylacetyl)amino]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxolan-2-yl)benzimidazole-4-carboxamide

6-[(2-cyclopentylacetyl)amino]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxolan-2-yl)benzimidazole-4-carboxamide (PubChem CID 45191558) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is 6-[(2-cyclopentylacetyl)amino]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxolan-2-yl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-[(2-cyclopentylacetyl)amino]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxolan-2-yl)benzimidazole-4-carboxamide
PubChem CID45191558
Molecular FormulaC29H36N4O3
Molecular Weight488.63 g/mol
Exact Mass488.28
IUPAC Name6-[(2-cyclopentylacetyl)amino]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxolan-2-yl)benzimidazole-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc(NC(=O)CC3CCCC3)cc3nc(C4CCCO4)n(C)c23)cc1
InChIInChI=1S/C29H36N4O3/c1-19-10-12-21(13-11-19)18-32(2)29(35)23-16-22(30-26(34)15-20-7-4-5-8-20)17-24-27(23)33(3)28(31-24)25-9-6-14-36-25/h10-13,16-17,20,25H,4-9,14-15,18H2,1-3H3,(H,30,34)
InChIKeyARWJXUMEEFWYFD-UHFFFAOYSA-N
XLogP5.52
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(2-cyclopentylacetyl)amino]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxolan-2-yl)benzimidazole-4-carboxamide with MolForge

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Related Compounds

6-[(2-cyclopentylacetyl)amino]-3-methyl-2-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide
CID 42170054
6-[(2-cyclopentylacetyl)amino]-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-yl)benzimidazole-4-carboxamide
CID 45189679
2-cyclopentyl-N-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methyl-2-[(2R)-oxolan-2-yl]benzimidazol-5-yl]acetamide
CID 29029403
2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide
CID 42170060
2-cyclobutyl-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide
CID 42276148
2-benzyl-N-ethyl-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6-(propanoylamino)benzimidazole-4-carboxamide
CID 42164981
2-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122296738
N-methyl-N-[(4-methylphenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 38046584
N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055
2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119860392
2-cyclopentyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]acetamide
CID 46290733
2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide
CID 58862999

Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclopentylacetyl)amino]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxolan-2-yl)benzimidazole-4-carboxamide?
The IUPAC name of 6-[(2-cyclopentylacetyl)amino]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxolan-2-yl)benzimidazole-4-carboxamide (CID 45191558) is 6-[(2-cyclopentylacetyl)amino]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxolan-2-yl)benzimidazole-4-carboxamide.
What is the SMILES notation for 6-[(2-cyclopentylacetyl)amino]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxolan-2-yl)benzimidazole-4-carboxamide?
The canonical SMILES for 6-[(2-cyclopentylacetyl)amino]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxolan-2-yl)benzimidazole-4-carboxamide is Cc1ccc(CN(C)C(=O)c2cc(NC(=O)CC3CCCC3)cc3nc(C4CCCO4)n(C)c23)cc1.
What is the InChIKey of 6-[(2-cyclopentylacetyl)amino]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxolan-2-yl)benzimidazole-4-carboxamide?
The InChIKey is ARWJXUMEEFWYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-19-10-12-21(13-11-19)18-32(2)29(35)23-16-22(30-26(34)15-20-7-4-5-8-20)17-24-27(23)33(3)28(31-24)25-9-6-14-36-25/h10-13,16-17,20,25H,4-9,14-15,18H2,1-3H3,(H,30,34).
What are the key properties of 6-[(2-cyclopentylacetyl)amino]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxolan-2-yl)benzimidazole-4-carboxamide?
6-[(2-cyclopentylacetyl)amino]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxolan-2-yl)benzimidazole-4-carboxamide has a molecular weight of 488.63 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyclopentylacetyl)amino]-N,3-dimethyl-N-[(4-methylphenyl)methyl]-2-(oxolan-2-yl)benzimidazole-4-carboxamide is sourced from PubChem (CID 45191558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).